ChemSpider 2D Image | 2-Deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-alpha-D-erythro-hexopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradeca noyl]amino}-1-O-phosphono-alpha-D-erythro-hexopyranose | C68H130N2O23P2

2-Deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-α-D-erythro-hexopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradeca noyl]amino}-1-O-phosphono-α-D-erythro-hexopyranose

  • Molecular FormulaC68H130N2O23P2
  • Average mass1405.707 Da
  • Monoisotopic mass1404.854004 Da
  • ChemSpider ID2497507

  • defined stereocentres - 10 of 14 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-α-D-erythro-hexopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradeca noyl]amino}-1-O-phosphono-α-D-erythro-hexopyranose [ACD/IUPAC Name]
2-Desoxy-6-O-(2-desoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-α-D-erythro-hexopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetrade canoyl]amino}-1-O-phosphono-α-D-erythro-hexopyranose [German] [ACD/IUPAC Name]
2-Désoxy-6-O-(2-désoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-α-D-érythro-hexopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetrade canoyl]amino}-1-O-phosphono-α-D-érythro-hexopyranose [French] [ACD/IUPAC Name]
α-D-erythro-Hexopyranose, 2-deoxy-6-O-[2-deoxy-3-O-[(3R)-3-hydroxy-1-oxotetradecyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-4-O-phosphono-α-D-erythro-hexopyranosyl]-3-O-[(3R)-3-hydroxy-1-oxo tetradecyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, 1-(dihydrogen phosphate) [ACD/Index Name]
lipid IVA

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMSL01040001 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.535
Molar Refractivity: 361.3±0.4 cm3
#H bond acceptors: 25
#H bond donors: 12
#Freely Rotating Bonds: 62
#Rule of 5 Violations: 4
ACD/LogP: 14.36
ACD/LogD (pH 5.5): 8.58
ACD/BCF (pH 5.5): 149856.92
ACD/KOC (pH 5.5): 8378.26
ACD/LogD (pH 7.4): 6.91
ACD/BCF (pH 7.4): 3217.79
ACD/KOC (pH 7.4): 179.90
Polar Surface Area: 413 Å2
Polarizability: 143.2±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 1160.9±5.0 cm3

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